![2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide structure](/static/products/2946/294657-72-0.webp)
2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide
TL;DR: 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide (CAS 294657-72-0) is a chemical compound with molecular formula C13H15Cl3N4O3S and molecular weight 411.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2,2,2-trichloro-1-[(2-nitrophenyl)carbamothioylamino]ethyl]propanamide
Also Known As: 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide, 2-methyl-N-[2,2,2-trichloro-1-[(2-nitrophenyl)carbamothioylamino]ethyl]propanamide, 2-Methyl-N-[2,2,2-trichloro-1-({[(2-nitrophenyl)amino]carbonothioyl}amino)ethyl]propanamide, 2-methyl-N-[2,2,2-trichloro-1-({[(2-nitrophenyl)amino]thioxomethyl}amino)ethyl ]propanamide
| Molecular Formula | C13H15Cl3N4O3S |
|---|---|
| Molecular Weight | 411.99 g/mol |
| LogP | 3.3497 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.99304 |
| Heavy Atoms | 24 |
| Complexity | 637.1331 |
Chemical Identifiers
| CAS Number | 294657-72-0 |
|---|---|
| SMILES | CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide (CAS 294657-72-0), with molecular formula C13H15Cl3N4O3S and molecular weight 411.99 g/mol. IUPAC: 2-methyl-N-[2,2,2-trichloro-1-[(2-nitrophenyl)carbamothioylamino]ethyl]propanamide.
Chemical Property Profile of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide
Property Insights of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide
The XLogP value of 3.3497 indicates that 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide. Following Lipinski's Rule of Five, 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide?
The CAS number of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide is 294657-72-0.
What is the molecular formula of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide?
The molecular formula of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide is C13H15Cl3N4O3S.
What is the molecular weight of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide?
The molecular weight of 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide is 411.99 g/mol.
Where can I buy 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide?
You can request a quote for 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.